5HW3
Crystal structure of a beta lactamase from Burkholderia vietnamiensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-11 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.430, 69.420, 78.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.210 - 1.450 |
R-factor | 0.1307 |
Rwork | 0.129 |
R-free | 0.16210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c6y |
RMSD bond length | 0.007 |
RMSD bond angle | 1.054 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev_2264) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.490 |
High resolution limit [Å] | 1.450 | 6.480 | 1.450 |
Rmerge | 0.065 | 0.030 | 0.374 |
Rmeas | 0.071 | 0.032 | 0.418 |
Total number of observations | 284886 | ||
Number of reflections | 40687 | 547 | 2719 |
<I/σ(I)> | 20.87 | 46.59 | 3.97 |
Completeness [%] | 99.1 | 98.4 | 91 |
Redundancy | 7 | 5 | |
CC(1/2) | 0.999 | 0.999 | 0.909 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | JCSG+ A1: 50% (v/v) PEG 400, 200mM Lithium Sulfate, 100mM Sodium Acetate/Acetic acid pH 4.5; 3mM MgCl2, 3mM UTP; BuviA.00104.a.B2 at 20mg/Ml; direct cryo; tray 267206a1; puck wmo4-4 aps21idf |